Spektraris NMR
Thespesenone
Common Name: Thespesenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H12O4/c1-6-4-9-10(7(2)5-19-9)12-11(6)15(18)14(17)8(3)13(12)16/h4-5,17H,1-3H3
InChIKey: InChIKey=WFUJIEFEDAJQLM-UHFFFAOYSA-N
Formula: C15H12O4
Molecular Weight: 256.253947
Exact Mass: 256.073559
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Puckhaber, L.S., Stipanovic, R.D. J Nat Prod (2004) 67, 1571-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadalenes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 123.7 |
| 2 (C) | 182.5 |
| 3 (C) | 152.4 |
| 4 (C) | 118.4 |
| 5 (C) | 186.4 |
| 6 (C) | 129.9 |
| 7 (C) | 126.4 |
| 8 (C) | 160 |
| 9 (CH) | 118.6 |
| 10 (C) | 138.8 |
| 11 (C) | 118.3 |
| 12 (CH) | 146.4 |
| 13 (CH3) | 13.5 |
| 14 (CH3) | 8.6 |
| 15 (CH3) | 23.9 |
Copyright © 2025
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.